Vitas-M small molecule compound

2'-(4-chloro-3-nitrophenyl)-6,7-dimethyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione

Catalog ID
STL235092
SMILES O=C1N(c2ccc(c(c2)[N+](=O)[O-])Cl)C(=O)C2C1C1CCCN1C12C(=O)Nc2c1ccc(c2C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C24H21ClN4O5 MW 480.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN4O5/c1-11-5-7-14-20(12(11)2)26-23(32)24(14)19-18(16-4-3-9-27(16)24)21(30)28(22(19)31)13-6-8-15(25)17(10-13)29(33)34/h5-8,10,16,18-19H,3-4,9H2,1-2H3,(H,26,32)
InChIKey
MMBCUTPJVMZYSX-UHFFFAOYSA-N
Synonyms

(3S3aR8aS8bS)2(4chloro3nitrophenyl)67dimethyl6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
2(4chloro3nitrophenyl)67dimethyl3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
2(4chloro3nitrophenyl)67dimethylspiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
CC1=C(C2=C(C=C1)C3(C4C(C5N3CCC5)C(=O)N(C4=O)C6=CC(=C(C=C6)Cl)(N+)(=O)(O))C(=O)N2)C
InChI=1SC24H21ClN4O5c111571420(12(11)2)2623(32)24(14)1918(1643927(16)24)21(30)28(22(19)31)136815(25)17(1013)29(33)34h5810161819H349H212H3(H2632)
MFCD07204318
O=C1N(c2ccc(c(c2)(N+)(=O)(O))Cl)C(=O)(C@@H)2(C@H)1(C@@H)1CCCN1(C@)12C(=O)Nc2c1ccc(c2C)C
O=C1N(c2ccc(c(c2)(N+)(=O)(O))Cl)C(=O)C2C1C1CCCN1C12C(=O)Nc2c1ccc(c2C)C
ZINC000002197516
ZINC000248335151

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Available files

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